4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile

C24H26N2 — CID 10427511

IUPAC4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile
SMILESCCN(CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1)C(C)C
InChIInChI=1S/C24H26N2/c1-4-26(18(2)3)14-13-19-5-10-24-16-23(12-11-22(24)15-19)21-8-6-20(17-25)7-9-21/h5-12,15-16,18H,4,13-14H2,1-3H3
InChIKeyNFNZDEVHQMJVQK-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.65
Rot. Bonds6

About 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile

4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile (PubChem CID 10427511) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile
PubChem CID10427511
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile
SMILESCCN(CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1)C(C)C
InChIInChI=1S/C24H26N2/c1-4-26(18(2)3)14-13-19-5-10-24-16-23(12-11-22(24)15-19)21-8-6-20(17-25)7-9-21/h5-12,15-16,18H,4,13-14H2,1-3H3
InChIKeyNFNZDEVHQMJVQK-UHFFFAOYSA-N
XLogP5.65
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile (CID 10427511) is 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile is CCN(CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1)C(C)C.
What is the InChIKey of 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile?
The InChIKey is NFNZDEVHQMJVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-4-26(18(2)3)14-13-19-5-10-24-16-23(12-11-22(24)15-19)21-8-6-20(17-25)7-9-21/h5-12,15-16,18H,4,13-14H2,1-3H3.
What are the key properties of 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile?
4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile has a molecular weight of 342.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[ethyl(propan-2-yl)amino]ethyl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 10427511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).